Chemical Properties of (+)-di-O-4-Toluoyl-D-tartaric acid (CAS 32634-68-7)

InChI

InChI=1S/C20H18O8/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)

InChI Key

CMIBUZBMZCBCAT-UHFFFAOYSA-N

Formula

C20H18O8

SMILES

Cc1ccc(C(=O)OC(C(=O)O)C(OC(=O)c2ccc(C)cc2)C(=O)O)cc1

Molecular Weight¹

386.35

CAS

32634-68-7

Other Names

• (+)-di-O,O'-p-Toluyl-D-tartaric acid
• di-p-Toluoyl-L-tartaric acid
• (-)-di-p-Toluyl-L-tartaric acid
• (2S,35)-(-)-di-o-4-Toluoyl-D-tartaric acid
• L-di-p-Toluyltartaric acid
• Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, [S-(R*,R*)]-
• [S(R*,R*)]-2,3-bis[(4-methylbenzoyl)oxy]succinic acid

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[379.63; 846.87]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.15000e+00
Coefficient B			1.63084e+00
Coefficient C			-9.54920e-04
Coefficient D			1.68800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	379.63	J/mol×K	273.00	Calculated Property
Cp,gas	467.06	J/mol×K	353.78	Calculated Property
Cp,gas	544.37	J/mol×K	434.56	Calculated Property
Cp,gas	612.08	J/mol×K	515.33	Calculated Property
Cp,gas	670.74	J/mol×K	596.11	Calculated Property
Cp,gas	720.87	J/mol×K	676.89	Calculated Property
Cp,gas	763.02	J/mol×K	757.67	Calculated Property
Cp,gas	797.71	J/mol×K	838.44	Calculated Property
Cp,gas	825.49	J/mol×K	919.22	Calculated Property
Cp,gas	846.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000790; 0.0000233]	Pa×s	[768.90; 968.25]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.53652e+01
Coefficient B			4.55092e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			768.90
Temperature range, max.			968.25
η	0.0000790	Pa×s	768.90	Calculated Property
η	0.0000669	Pa×s	791.05	Calculated Property
η	0.0000572	Pa×s	813.20	Calculated Property
η	0.0000493	Pa×s	835.35	Calculated Property
η	0.0000428	Pa×s	857.50	Calculated Property
η	0.0000375	Pa×s	879.65	Calculated Property
η	0.0000330	Pa×s	901.80	Calculated Property
η	0.0000292	Pa×s	923.95	Calculated Property
η	0.0000261	Pa×s	946.10	Calculated Property
η	0.0000233	Pa×s	968.25	Calculated Property

Similar Compounds

Find more compounds similar to (+)-di-O-4-Toluoyl-D-tartaric acid.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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